SynOne demonstrates a “value-add” approach to the publication of chemical data: 1) Through the use of an expert-defined chemical-compound class taxonomy; 2) The systematic and logical indexing of structures within that taxonomy according to defined rules; 3) The linking of scientific articles via metadata abstraction; 4) The introduction of new structure-searching technology allowing the “reverse substructure search” of molecules using text or structure searches to give their possible building blocks and related compound classes; 5) The provision of an innovative graphical user interface allowing the user to explore the chemistry literature via search, browse, and discover options. SynOne includes synthetic methodology reviews with trusted and evaluated methods selected by expert chemists from the organic synthesis literature worldwide (Science of Synthesis); current awareness articles covering most of the major organic synthesis journals (SYNFACTS); selected Thieme-specific primary literature articles focused on organic synthesis (SYNTHESIS and SYNLETT), and, information relating to the industrial synthesis and commercial applications of licensed drugs of significance (Pharmaceutical Substances). The systematic way in which the data has been organized in combination with the technology tools that have been used to abstract relevant information and present it in a novel and interactive way make this a useful tool for the organic chemist. This talk will describe the challenges overcome in order to combine and link data from various very different resources across the Thieme Chemistry portfolio. This portfolio includes examples of content from the primary, secondary and tertiary literature as well as in different data formats e.g. XML or PDF. We will outline the decisions made in determining the key structures for abstraction and indexing across Thieme Chemistry content as well as the process of assigning them to a taxonomy. This talk will also describe some of the potential new developments to further improve the intuitive access to scientific content via chemical structures.

SynOne - The use of an expert-defined chemical-compound class taxonomy to map organic synthesis articles from the chemistry literature

256th National Meeting (2018)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.